CID 12294036

Phenol, 2-amino-4-(heptafluoropropyl)-

Structural Information

Molecular Formula
C9H6F7NO
SMILES
C1=CC(=C(C=C1C(C(C(F)(F)F)(F)F)(F)F)N)O
InChI
InChI=1S/C9H6F7NO/c10-7(11,8(12,13)9(14,15)16)4-1-2-6(18)5(17)3-4/h1-3,18H,17H2
InChIKey
HATCNXLXAZKUEN-UHFFFAOYSA-N
Compound name
2-amino-4-(1,1,2,2,3,3,3-heptafluoropropyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

277.03375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04103 151.0
[M+Na]+ 300.02297 160.5
[M-H]- 276.02647 144.6
[M+NH4]+ 295.06757 165.8
[M+K]+ 315.99691 156.2
[M+H-H2O]+ 260.03101 140.5
[M+HCOO]- 322.03195 162.2
[M+CH3COO]- 336.04760 198.0
[M+Na-2H]- 298.00842 154.6
[M]+ 277.03320 138.7
[M]- 277.03430 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe