CID 45097473

5-bromo-2-methoxy-4-methylaniline

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=CC(=C(C=C1Br)N)OC
InChI
InChI=1S/C8H10BrNO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,10H2,1-2H3
InChIKey
CQTXKFAOECJJFM-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

214.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 136.9
[M+Na]+ 237.983798 149.4
[M-H]- 213.987304 143.4
[M+NH4]+ 233.028403 159.2
[M+K]+ 253.957738 138.5
[M+H-H2O]+ 197.991840 136.7
[M+HCOO]- 259.992781 159.5
[M+CH3COO]- 274.008431 188.1
[M+Na-2H]- 235.969246 143.6
[M]+ 214.99403142 155.6
[M]- 214.99512858 155.6
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