CID 13561828

[3-chloro-4-(trifluoromethoxy)phenyl]hydrazinehydrochloride

Structural Information

Molecular Formula
C7H6ClF3N2O
SMILES
C1=CC(=C(C=C1NN)Cl)OC(F)(F)F
InChI
InChI=1S/C7H6ClF3N2O/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKey
RKGVAEHDXKICPX-UHFFFAOYSA-N
Compound name
[3-chloro-4-(trifluoromethoxy)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.01207 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01935 139.7
[M+Na]+ 249.00129 149.5
[M-H]- 225.00479 139.5
[M+NH4]+ 244.04589 158.3
[M+K]+ 264.97523 145.2
[M+H-H2O]+ 209.00933 132.5
[M+HCOO]- 271.01027 157.3
[M+CH3COO]- 285.02592 190.5
[M+Na-2H]- 246.98674 145.5
[M]+ 226.01152 136.6
[M]- 226.01262 136.6
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