CID 25210503

2-fluoro-3-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5F4NO
SMILES
C1=CC(=C(C(=C1)OC(F)(F)F)F)N
InChI
InChI=1S/C7H5F4NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2
InChIKey
LSRVHFQASBQSGA-UHFFFAOYSA-N
Compound name
2-fluoro-3-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

195.03073 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03801 132.9
[M+Na]+ 218.01995 142.8
[M-H]- 194.02345 131.6
[M+NH4]+ 213.06455 152.1
[M+K]+ 233.99389 140.2
[M+H-H2O]+ 178.02799 124.3
[M+HCOO]- 240.02893 152.8
[M+CH3COO]- 254.04458 184.6
[M+Na-2H]- 216.00540 138.2
[M]+ 195.03018 127.1
[M]- 195.03128 127.1
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