CID 75356292

4-fluoro-2-iodo-n-(propan-2-yl)aniline hydrochloride

Structural Information

Molecular Formula
C9H11FIN
SMILES
CC(C)NC1=C(C=C(C=C1)F)I
InChI
InChI=1S/C9H11FIN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKey
BMTJGYRGHHADCT-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodo-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.99203 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99931 145.0
[M+Na]+ 301.98125 145.8
[M-H]- 277.98475 140.7
[M+NH4]+ 297.02585 160.4
[M+K]+ 317.95519 149.4
[M+H-H2O]+ 261.98929 134.8
[M+HCOO]- 323.99023 163.0
[M+CH3COO]- 338.00588 193.2
[M+Na-2H]- 299.96670 137.5
[M]+ 278.99148 140.7
[M]- 278.99258 140.7
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.