CID 138494918

2-fluoro-1-iodo-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C9H10FI
SMILES
CC(C)C1=CC(=C(C=C1)I)F
InChI
InChI=1S/C9H10FI/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,1-2H3
InChIKey
CAIRFVGZXFLYJF-UHFFFAOYSA-N
Compound name
2-fluoro-1-iodo-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.98114 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98842 136.9
[M+Na]+ 286.97036 138.6
[M-H]- 262.97386 132.7
[M+NH4]+ 282.01496 153.3
[M+K]+ 302.94430 142.4
[M+H-H2O]+ 246.97840 127.4
[M+HCOO]- 308.97934 154.1
[M+CH3COO]- 322.99499 188.7
[M+Na-2H]- 284.95581 129.7
[M]+ 263.98059 133.4
[M]- 263.98169 133.4
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