CID 138396357
1-[(butan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-ol
Structural Information
- Molecular Formula
- C15H14F19NO
- SMILES
- CCC(C)NCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
- InChI
- InChI=1S/C15H14F19NO/c1-3-5(2)35-4-6(36)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h5-6,35-36H,3-4H2,1-2H3
- InChIKey
- PBRMQLWBNAZWRE-UHFFFAOYSA-N
- Compound name
- 1-(butan-2-ylamino)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 586.08448 | 188.3 |
[M+Na]+ | 608.06642 | 193.4 |
[M-H]- | 584.06992 | 197.8 |
[M+NH4]+ | 603.11102 | 197.6 |
[M+K]+ | 624.04036 | 204.3 |
[M+H-H2O]+ | 568.07446 | 175.7 |
[M+HCOO]- | 630.07540 | 200.6 |
[M+CH3COO]- | 644.09105 | 252.8 |
[M+Na-2H]- | 606.05187 | 186.3 |
[M]+ | 585.07665 | 183.8 |
[M]- | 585.07775 | 183.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.