CID 2773959

4-(trifluoromethoxy)benzene-1,2-diamine

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
C1=CC(=C(C=C1OC(F)(F)F)N)N
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)13-4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKey
PIOKGAUSPFWRMD-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

192.05104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 134.4
[M+Na]+ 215.04026 143.4
[M-H]- 191.04376 133.9
[M+NH4]+ 210.08486 153.2
[M+K]+ 231.01420 140.8
[M+H-H2O]+ 175.04830 126.3
[M+HCOO]- 237.04924 155.8
[M+CH3COO]- 251.06489 186.1
[M+Na-2H]- 213.02571 139.5
[M]+ 192.05049 128.0
[M]- 192.05159 128.1
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