CID 116529

2,6-dichloro-3-methylaniline

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC1=C(C(=C(C=C1)Cl)N)Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
InChIKey
AYVZXDFCFQSWJD-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

174.99556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00284 131.5
[M+Na]+ 197.98478 142.8
[M-H]- 173.98828 134.8
[M+NH4]+ 193.02938 153.2
[M+K]+ 213.95872 137.5
[M+H-H2O]+ 157.99282 128.4
[M+HCOO]- 219.99376 147.3
[M+CH3COO]- 234.00941 181.5
[M+Na-2H]- 195.97023 136.6
[M]+ 174.99501 133.0
[M]- 174.99611 133.0
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