CID 70831307

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

Structural Information

Molecular Formula
C10H13I
SMILES
CC1=C(C=C(C=C1)I)C(C)C
InChI
InChI=1S/C10H13I/c1-7(2)10-6-9(11)5-4-8(10)3/h4-7H,1-3H3
InChIKey
OHSWCBYVXSVEBE-UHFFFAOYSA-N
Compound name
4-iodo-1-methyl-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

260.0062 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01348 139.5
[M+Na]+ 282.99542 140.7
[M-H]- 258.99892 136.5
[M+NH4]+ 278.04002 156.1
[M+K]+ 298.96936 144.7
[M+H-H2O]+ 243.00346 130.7
[M+HCOO]- 305.00440 157.4
[M+CH3COO]- 319.02005 189.0
[M+Na-2H]- 280.98087 132.2
[M]+ 260.00565 137.4
[M]- 260.00675 137.4
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