CID 137581

4-(heptafluoroisopropyl)toluene

Structural Information

Molecular Formula
C10H7F7
SMILES
CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H7F7/c1-6-2-4-7(5-3-6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKey
XEFRSBQTXVJYKZ-UHFFFAOYSA-N
Compound name
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

260.0436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05088 174.1
[M+Na]+ 283.03282 178.2
[M+NH4]+ 278.07742 175.8
[M+K]+ 299.00676 174.1
[M-H]- 259.03632 167.2
[M+Na-2H]- 281.01827 174.1
[M]+ 260.04305 172.5
[M]- 260.04415 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe