CID 2778064

58816-79-8

Structural Information

Molecular Formula
C7ClF11O
SMILES
C(=O)(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)Cl
InChI
InChI=1S/C7ClF11O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
InChIKey
JBOWALSHDVHATH-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

343.9462 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95348 132.5
[M+Na]+ 366.93542 149.1
[M-H]- 342.93892 125.9
[M+NH4]+ 361.98002 157.8
[M+K]+ 382.90936 144.6
[M+H-H2O]+ 326.94346 126.3
[M+HCOO]- 388.94440 137.8
[M+CH3COO]- 402.96005 209.2
[M+Na-2H]- 364.92087 137.1
[M]+ 343.94565 121.4
[M]- 343.94675 121.4
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