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
1
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 172.6
[M+Na]+ 300.02297 175.5
[M+NH4]+ 295.06757 173.5
[M+K]+ 315.99691 172.7
[M-H]- 276.02647 165.2
[M+Na-2H]- 298.00842 171.8
[M]+ 277.03320 170.5
[M]- 277.03430 170.5
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