CID 2775546

2-methyl-4-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CC1=C(C=CC(=C1)OC(F)(F)F)N
InChI
InChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKey
IIDBMILLZRYZCH-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

191.0558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 134.9
[M+Na]+ 214.045018 144.4
[M-H]- 190.048524 134.9
[M+NH4]+ 209.089623 154.4
[M+K]+ 230.018958 141.9
[M+H-H2O]+ 174.053060 127.1
[M+HCOO]- 236.054001 155.6
[M+CH3COO]- 250.069651 184.7
[M+Na-2H]- 212.030466 140.3
[M]+ 191.05525142 130.7
[M]- 191.05634858 130.7
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