CID 19601391

2,5-dichloro-4-methylaniline

Structural Information

Molecular Formula
C7H7Cl2N
SMILES
CC1=CC(=C(C=C1Cl)N)Cl
InChI
InChI=1S/C7H7Cl2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
InChIKey
PLVBBUUBVVJOIB-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
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

No literature data available for this compound.

Patent stripe

patents stripe