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]+ 267.96291 140.5
[M+Na]+ 289.94485 143.1
[M-H]- 265.94835 136.3
[M+NH4]+ 284.98945 156.4
[M+K]+ 305.91879 146.9
[M+H-H2O]+ 249.95289 130.6
[M+HCOO]- 311.95383 159.6
[M+CH3COO]- 325.96948 189.0
[M+Na-2H]- 287.93030 133.4
[M]+ 266.95508 136.8
[M]- 266.95618 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.