CID 92133955

3-fluoro-2-iodo-4-methoxyaniline hydrochloride

Structural Information

Molecular Formula
C7H7FINO
SMILES
COC1=C(C(=C(C=C1)N)I)F
InChI
InChI=1S/C7H7FINO/c1-11-5-3-2-4(10)7(9)6(5)8/h2-3H,10H2,1H3
InChIKey
MQRATBCAGQYWIS-UHFFFAOYSA-N
Compound name
3-fluoro-2-iodo-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.95563 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.962906 140.5
[M+Na]+ 289.944848 143.1
[M-H]- 265.948354 136.3
[M+NH4]+ 284.989453 156.4
[M+K]+ 305.918788 146.9
[M+H-H2O]+ 249.952890 130.6
[M+HCOO]- 311.953831 159.6
[M+CH3COO]- 325.969481 189.0
[M+Na-2H]- 287.930296 133.4
[M]+ 266.95508142 136.8
[M]- 266.95617858 136.8
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

No patent data available for this compound.