CID 735784

3-chloro-5-(trifluoromethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C7H6ClF3N2
SMILES
C1=C(C=C(C(=C1N)N)Cl)C(F)(F)F
InChI
InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChIKey
NVNLHLRVSHJKBN-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

210.01717 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02445 137.6
[M+Na]+ 233.00639 148.4
[M-H]- 209.00989 137.3
[M+NH4]+ 228.05099 156.9
[M+K]+ 248.98033 143.3
[M+H-H2O]+ 193.01443 130.9
[M+HCOO]- 255.01537 154.3
[M+CH3COO]- 269.03102 189.0
[M+Na-2H]- 230.99184 141.5
[M]+ 210.01662 132.4
[M]- 210.01772 132.4
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