CID 13178651

3,5-dichloro-4-methoxyaniline

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
COC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKey
GNFMBCBDTFAEHM-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

190.99046 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 134.2
[M+Na]+ 213.97968 145.5
[M-H]- 189.98318 137.6
[M+NH4]+ 209.02428 155.3
[M+K]+ 229.95362 140.7
[M+H-H2O]+ 173.98772 131.0
[M+HCOO]- 235.98866 150.3
[M+CH3COO]- 250.00431 183.5
[M+Na-2H]- 211.96513 139.3
[M]+ 190.98991 137.2
[M]- 190.99101 137.2
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