CID 79003474

1261440-05-4

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC(=C(C=C1OC(F)F)F)CN
InChI
InChI=1S/C8H8F3NO/c9-7-3-6(13-8(10)11)2-1-5(7)4-12/h1-3,8H,4,12H2
InChIKey
DXFSRVHKKOLMFR-UHFFFAOYSA-N
Compound name
[4-(difluoromethoxy)-2-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.0558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 134.8
[M+Na]+ 214.045018 143.5
[M-H]- 190.048524 134.5
[M+NH4]+ 209.089623 154.0
[M+K]+ 230.018958 141.1
[M+H-H2O]+ 174.053060 126.4
[M+HCOO]- 236.054001 156.1
[M+CH3COO]- 250.069651 185.9
[M+Na-2H]- 212.030466 138.3
[M]+ 191.05525142 130.6
[M]- 191.05634858 130.6
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