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

3
Patents

277.03375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.041026 151.0
[M+Na]+ 300.022968 160.5
[M-H]- 276.026474 144.6
[M+NH4]+ 295.067573 165.8
[M+K]+ 315.996908 156.2
[M+H-H2O]+ 260.031010 140.5
[M+HCOO]- 322.031951 162.2
[M+CH3COO]- 336.047601 198.0
[M+Na-2H]- 298.008416 154.6
[M]+ 277.03320142 138.7
[M]- 277.03429858 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