CID 11844

2,3-dichloroaniline

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey
BRPSAOUFIJSKOT-UHFFFAOYSA-N
Compound name
2,3-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

9
References

3417
Patents

160.9799 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 127.1
[M+Na]+ 183.96912 137.9
[M-H]- 159.97262 130.2
[M+NH4]+ 179.01372 149.1
[M+K]+ 199.94306 132.8
[M+H-H2O]+ 143.97716 124.0
[M+HCOO]- 205.97810 143.3
[M+CH3COO]- 219.99375 177.4
[M+Na-2H]- 181.95457 133.4
[M]+ 160.97935 127.9
[M]- 160.98045 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe